8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine

C19H23ClN4O — CID 57208631

IUPAC8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine
SMILESCCCCCOc1nc(C)nc2c(-c3c(C)cc(Cl)cc3C)cnn12
InChIInChI=1S/C19H23ClN4O/c1-5-6-7-8-25-19-23-14(4)22-18-16(11-21-24(18)19)17-12(2)9-15(20)10-13(17)3/h9-11H,5-8H2,1-4H3
InChIKeyAEBJTDPKQOVNQV-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.94
Rot. Bonds6

About 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine

8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine (PubChem CID 57208631) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine
PubChem CID57208631
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine
SMILESCCCCCOc1nc(C)nc2c(-c3c(C)cc(Cl)cc3C)cnn12
InChIInChI=1S/C19H23ClN4O/c1-5-6-7-8-25-19-23-14(4)22-18-16(11-21-24(18)19)17-12(2)9-15(20)10-13(17)3/h9-11H,5-8H2,1-4H3
InChIKeyAEBJTDPKQOVNQV-UHFFFAOYSA-N
XLogP4.94
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxyquinoline
CID 57253961
2-methyl-N-pentan-3-yl-8-(2,4,6-trimethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 22474342
N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 22474399
10-(4-methoxy-2,6-dimethylphenyl)-N,N-dipropyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 10135149
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
5-(chloromethyl)-4-methyl-2-octoxypyrimidine
CID 83184945
[2,3-dichloro-6-heptoxy-4-(2,4,6-trimethylphenyl)phenyl]iminoazanium
CID 20729259
5-chloro-2-heptoxy-3-methoxybenzoic acid
CID 104665678
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
4-methyl-2-(3-methyl-2-octoxyphenyl)pyridine
CID 158540185

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine (CID 57208631) is 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine is CCCCCOc1nc(C)nc2c(-c3c(C)cc(Cl)cc3C)cnn12.
What is the InChIKey of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is AEBJTDPKQOVNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-5-6-7-8-25-19-23-14(4)22-18-16(11-21-24(18)19)17-12(2)9-15(20)10-13(17)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine?
8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 358.87 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2,6-dimethylphenyl)-2-methyl-4-pentoxypyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 57208631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).